[3-(trifluoromethyl)phenyl] 4-azanyl-3-nitro-benzenesulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 4-azanyl-3-nitro-benzenesulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 4-amino-3-nitro-benzenesulfonate CAS Name: 4-amino-3-nitrobenzenesulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 4-amino-3-nitrobenzenesulfonate Traditional Name: 4-amino-3-nitro-benzenesulfonic acid [3-(trifluoromethyl)phenyl] ester Formula: C13H9F3N2O5S MolecularWeight: 362.28117

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H9F3N2O5S/c14-13(15,16)8-2-1-3-9(6-8)23-24(21,22)10-4-5-11(17)12(7-10)18(19)20/h1-7H,17H2